2-(3,3-dimethylbutan-2-yl)-1-(4-methyl-5-oxidanylidene-3H-1,3,4-benzotriazepin-2-yl)guanidine

Systemtic Name: 2-(3,3-dimethylbutan-2-yl)-1-(4-methyl-5-oxidanylidene-3H-1,3,4-benzotriazepin-2-yl)guanidine Openeye Name: 1-(4-methyl-5-oxo-3H-1,3,4-benzotriazepin-2-yl)-2-(1,2,2-trimethylpropyl)guanidine CAS Name: 2-(3,3-dimethylbutan-2-yl)-1-(4-methyl-5-oxo-3H-1,3,4-benzotriazepin-2-yl)guanidine IUPAC Name: 2-(3,3-dimethylbutan-2-yl)-1-(4-methyl-5-oxo-3H-1,3,4-benzotriazepin-2-yl)guanidine Traditional Name: 1-(5-keto-4-methyl-3H-1,3,4-benzotriazepin-2-yl)-2-(1,2,2-trimethylpropyl)guanidine Formula: C16H24N6O MolecularWeight: 316.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)N=C(N)NC1=NC2=CC=CC=C2C(=O)N(N1)C

Isomeric SMILES

CC(C(C)(C)C)N=C(N)NC1=NC2=CC=CC=C2C(=O)N(N1)C

InChI

InChI=1S/C16H24N6O/c1-10(16(2,3)4)18-14(17)20-15-19-12-9-7-6-8-11(12)13(23)22(5)21-15/h6-10H,1-5H3,(H4,17,18,19,20,21)